1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

C₈H₁₁F₆N₃O₅S₂CAS 174899-86-6407.30 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₈H₁₁F₆N₃O₅S₂
Molar mass: 407.30 g/mol
Exact mass: 407.0044 Da
logP: 0.36Crippen estimate
Polar surface area: 111.4 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

174899-86-6

SMILES

C[N+]1=CN(C=C1)CCO.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChIKey

GIIZYNGNGTZORC-UHFFFAOYSA-N

InChI

InChI=1S/C6H11N2O.C2F6NO4S2/c1-7-2-3-8(6-7)4-5-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-3,6,9H,4-5H2,1H3;/q+1;-1

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Names and synonyms

1 names

1-(2-Hydroxyethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Work with 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-372 % similar 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-270 % similar 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-249 % similar 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-247 % similar 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-743 % similar 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide174899-90-242 % similar 1-Methyl-3-propylimidazolium iodide119171-18-538 % similar 1-Propyl-3-methylimidazolium bromide85100-76-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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